#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ocp n GLU 2 N 0.00 -7.19 -3.54 2.12 2.13 -1.26 -4.96 120.64 107.95 1ocp n GLU 2 Ca 0.00 0.83 -0.40 0.00 0.66 0.00 0.00 57.16 58.25 1ocp n GLU 2 Cb 0.00 -5.79 -0.11 0.00 0.27 0.00 0.00 31.44 25.82 1ocp n GLU 2 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1ocp s THR 3 N -3.28 5.29 0.30 6.31 -4.23 -1.26 -4.86 115.64 113.91 1ocp s THR 3 Ca 0.52 -0.17 0.00 0.00 -1.18 0.00 0.00 61.69 60.86 1ocp s THR 3 Cb -0.23 -3.69 0.00 0.00 1.34 0.00 0.00 72.50 69.92 1ocp s THR 3 CO 0.64 0.02 0.00 0.18 -0.54 0.00 0.00 174.62 174.92 1ocp n LEU 4 N 5.10 -0.28 -2.36 4.79 4.77 -1.26 -4.94 117.00 122.82 1ocp n LEU 4 Ca -0.13 0.52 -0.17 0.00 -0.03 0.00 0.00 56.01 56.20 1ocp n LEU 4 Cb 0.50 0.51 0.02 0.00 -2.33 0.00 0.00 43.42 42.12 1ocp n LEU 4 CO 0.36 -0.77 0.11 0.52 -1.33 0.00 0.00 177.39 176.28 1ocp n VAL 5 N -3.49 2.06 -0.10 4.08 0.31 -1.26 -4.75 118.33 115.18 1ocp n VAL 5 Ca 0.00 -3.92 -0.10 0.00 -0.01 0.00 0.00 64.34 60.31 1ocp n VAL 5 Cb 0.00 -0.40 -0.15 0.00 -0.91 0.00 0.00 33.84 32.38 1ocp n VAL 5 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ocp n GLN 6 N -0.59 0.78 -1.69 5.55 1.13 -1.26 -4.92 117.38 116.37 1ocp n GLN 6 Ca 0.31 -0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.95 1ocp n GLN 6 Cb 0.86 -1.51 -0.03 0.00 0.11 0.00 0.00 30.24 29.68 1ocp n GLN 6 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ocp s ALA 7 N -2.48 3.74 0.40 -1.58 0.00 -1.26 -4.72 121.76 115.85 1ocp s ALA 7 Ca -0.11 1.45 0.00 0.00 0.00 0.00 0.00 51.96 53.30 1ocp s ALA 7 Cb 0.06 -3.78 0.00 0.00 0.00 0.00 0.00 23.12 19.40 1ocp s ALA 7 CO 0.80 -1.29 0.00 0.54 0.00 0.00 0.00 175.76 175.81 1ocp n ARG 8 N 5.98 0.00 -2.78 0.00 1.74 -1.26 -5.00 116.66 115.33 1ocp n ARG 8 Ca 0.18 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 57.15 1ocp n ARG 8 Cb 0.38 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 31.84 1ocp n ARG 8 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 1ocp n LYS 9 N -3.47 1.10 -0.66 5.56 2.85 -1.26 -4.52 118.16 117.75 1ocp n LYS 9 Ca 0.00 -3.22 0.00 0.00 -1.05 0.00 0.00 58.31 54.04 1ocp n LYS 9 Cb 0.00 -1.31 0.21 0.00 -0.65 0.00 0.00 35.03 33.29 1ocp n LYS 9 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 1ocp n ARG 10 N 0.01 2.14 -3.62 -1.58 0.63 -1.26 -4.94 116.66 108.04 1ocp n ARG 10 Ca 0.12 -3.05 -0.10 0.00 -0.92 0.00 0.00 57.85 53.91 1ocp n ARG 10 Cb 0.78 -1.81 -0.02 0.00 0.45 0.00 0.00 32.46 31.86 1ocp n ARG 10 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 1ocp s LYS 11 N -3.10 1.50 0.00 -0.14 2.47 -1.26 -5.03 119.74 114.17 1ocp s LYS 11 Ca 0.43 -0.70 0.27 0.00 -1.56 0.00 0.00 55.97 54.41 1ocp s LYS 11 Cb 0.38 0.59 0.92 0.00 -1.46 0.00 0.00 37.83 38.26 1ocp s LYS 11 CO 0.03 -0.67 1.69 2.89 0.16 0.00 0.00 175.35 179.45 1ocp n ARG 12 N -0.41 0.17 0.22 4.03 1.85 -1.26 -3.58 116.66 117.67 1ocp n ARG 12 Ca -0.11 -0.06 0.12 0.00 -1.00 0.00 0.00 57.85 56.80 1ocp n ARG 12 Cb 0.62 -1.50 0.21 0.00 -1.05 0.00 0.00 32.46 30.74 1ocp n ARG 12 CO 0.00 0.00 0.00 1.15 -0.01 0.00 0.00 177.63 178.77 1ocp h THR 13 N 0.16 0.00 -4.40 8.89 2.02 -1.97 -3.46 112.91 114.15 1ocp h THR 13 Ca 0.00 -0.95 -0.13 0.00 0.77 0.00 0.00 66.41 66.10 1ocp h THR 13 Cb 0.47 1.95 0.01 0.00 -1.74 0.00 0.00 68.15 68.84 1ocp h THR 13 CO 0.00 0.00 -0.00 -1.54 0.37 0.00 0.00 175.52 174.35 1ocp n SER 14 N -3.05 0.49 -4.56 4.18 3.41 -1.24 -4.80 113.62 108.05 1ocp n SER 14 Ca 0.04 -1.37 -0.43 0.00 -0.26 0.00 0.00 58.87 56.85 1ocp n SER 14 Cb 0.51 -0.13 -0.00 0.00 -0.26 0.00 0.00 64.21 64.33 1ocp n SER 14 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1ocp s ILE 15 N -0.19 4.29 0.87 -1.33 -1.09 -1.26 -4.90 121.20 117.59 1ocp s ILE 15 Ca 0.17 -2.03 -0.13 0.00 -2.23 0.00 0.00 60.65 56.42 1ocp s ILE 15 Cb -0.01 -5.14 0.12 0.00 -1.58 0.00 0.00 42.46 35.85 1ocp s ILE 15 CO 0.11 -1.95 1.20 -1.83 -1.23 0.00 0.00 174.94 171.24 1ocp s GLU 16 N 3.74 1.41 0.41 2.79 -1.05 -1.26 -4.87 118.70 119.87 1ocp s GLU 16 Ca 0.52 0.03 0.20 0.00 -0.15 0.00 0.00 54.97 55.56 1ocp s GLU 16 Cb 0.03 -1.89 0.86 0.00 -0.44 0.00 0.00 34.13 32.69 1ocp s GLU 16 CO 0.06 -1.96 1.83 -0.91 0.95 0.00 0.00 175.26 175.23 1ocp h ASN 17 N -1.32 0.00 0.73 0.83 -0.26 -1.93 -2.02 115.58 111.61 1ocp h ASN 17 Ca -0.46 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.28 1ocp h ASN 17 Cb 1.31 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.57 1ocp h ASN 17 CO 0.58 0.31 -0.07 -1.14 -1.06 0.00 0.00 177.43 176.05 1ocp n ARG 18 N -3.65 0.23 -0.05 0.81 0.63 -1.26 -2.87 116.66 110.49 1ocp n ARG 18 Ca -0.01 -0.04 -0.22 0.00 -0.92 0.00 0.00 57.85 56.67 1ocp n ARG 18 Cb 0.43 -1.50 -0.13 0.00 0.45 0.00 0.00 32.46 31.71 1ocp n ARG 18 CO 0.00 0.00 0.00 1.55 -2.51 0.00 0.00 177.63 176.67 1ocp n VAL 19 N -1.36 1.66 -0.20 5.15 3.14 -0.77 -2.74 118.33 123.21 1ocp n VAL 19 Ca 0.10 -0.34 -0.08 0.00 -2.96 0.00 0.00 64.34 61.05 1ocp n VAL 19 Cb 0.30 -1.89 0.02 0.00 -1.06 0.00 0.00 33.84 31.21 1ocp n VAL 19 CO 0.00 0.00 0.00 0.03 -6.46 0.00 0.00 176.83 170.40 1ocp h ARG 20 N -0.47 0.89 -0.01 1.45 3.08 -1.59 -1.38 114.38 116.36 1ocp h ARG 20 Ca -0.39 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 59.45 1ocp h ARG 20 Cb 1.67 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.60 1ocp h ARG 20 CO -0.07 0.82 0.00 0.91 -1.07 0.00 0.00 179.97 180.57 1ocp n TRP 21 N -4.41 0.01 0.09 3.04 5.03 -1.14 -2.20 117.44 117.86 1ocp n TRP 21 Ca 0.03 -0.00 -0.22 0.00 3.03 0.00 0.00 57.50 60.33 1ocp n TRP 21 Cb 0.22 0.00 -0.15 0.00 -1.03 0.00 0.00 31.31 30.35 1ocp n TRP 21 CO 0.00 0.00 0.00 0.77 -0.03 0.00 0.00 177.69 178.43 1ocp h SER 22 N 0.63 0.64 -0.28 -0.99 0.02 -1.09 -2.96 113.55 109.52 1ocp h SER 22 Ca 0.00 -0.86 0.05 0.00 -0.84 0.00 0.00 61.79 60.14 1ocp h SER 22 Cb 0.14 -0.21 -0.05 0.00 0.14 0.00 0.00 62.40 62.42 1ocp h SER 22 CO 0.00 1.71 -0.02 -0.07 -1.14 0.00 0.00 176.83 177.31 1ocp h LEU 23 N 0.11 -0.16 -1.13 5.07 3.38 -0.82 -1.48 115.31 120.29 1ocp h LEU 23 Ca -0.30 0.07 0.06 0.00 0.09 0.00 0.00 57.88 57.80 1ocp h LEU 23 Cb 2.10 0.13 -0.06 0.00 0.09 0.00 0.00 40.66 42.93 1ocp h LEU 23 CO 0.20 -0.05 0.60 -0.08 0.09 0.00 0.00 178.44 179.20 1ocp h GLU 24 N 0.06 1.03 -0.19 1.13 4.81 -1.56 0.75 114.58 120.61 1ocp h GLU 24 Ca 0.14 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.27 1ocp h GLU 24 Cb 0.19 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 1ocp h GLU 24 CO -0.25 0.68 -0.04 1.15 -0.73 0.00 0.00 179.01 179.83 1ocp h THR 25 N 1.07 1.14 0.00 0.32 2.02 -1.11 -1.49 112.91 114.86 1ocp h THR 25 Ca 0.39 -0.58 0.00 0.00 0.77 0.00 0.00 66.41 66.99 1ocp h THR 25 Cb 0.17 1.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 1ocp h THR 25 CO -0.14 0.19 -0.59 0.24 0.37 0.00 0.00 175.52 175.59 1ocp h MET 26 N 0.28 0.00 0.00 6.66 2.86 -0.52 -3.33 114.93 120.87 1ocp h MET 26 Ca 0.06 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.64 1ocp h MET 26 Cb 0.25 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 1ocp h MET 26 CO 0.01 0.00 -1.17 1.19 1.06 0.00 0.00 176.91 178.00 1ocp n PHE 27 N -2.44 0.96 -0.50 -0.22 3.72 0.07 -4.05 117.46 114.99 1ocp n PHE 27 Ca 0.03 0.29 -0.16 0.00 -0.05 0.00 0.00 57.45 57.56 1ocp n PHE 27 Cb 0.49 -1.00 0.09 0.00 -0.94 0.00 0.00 39.48 38.12 1ocp n PHE 27 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1ocp n LEU 28 N -2.75 5.63 -0.13 4.37 4.77 -0.63 -4.07 117.00 124.19 1ocp n LEU 28 Ca -0.04 -2.96 -0.22 0.00 -0.03 0.00 0.00 56.01 52.76 1ocp n LEU 28 Cb 0.65 -0.79 -0.11 0.00 -2.33 0.00 0.00 43.42 40.84 1ocp n LEU 28 CO 0.41 0.94 -1.37 2.29 -1.33 0.00 0.00 177.39 178.34 1ocp n LYS 29 N -0.36 0.63 -3.87 3.23 2.85 -1.26 -4.99 118.16 114.39 1ocp n LYS 29 Ca 0.37 0.19 -0.11 0.00 -1.05 0.00 0.00 58.31 57.70 1ocp n LYS 29 Cb 1.06 -1.52 -0.11 0.00 -0.65 0.00 0.00 35.03 33.81 1ocp n LYS 29 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1ocp n PRO 31 N 2.00 1.80 -2.98 0.00 -0.04 -1.26 -4.26 135.00 130.26 1ocp n PRO 31 Ca -0.19 -0.87 -0.22 0.00 -0.04 0.00 0.00 63.50 62.17 1ocp n PRO 31 Cb 0.57 -1.41 -0.03 0.00 -0.04 0.00 0.00 33.50 32.59 1ocp n PRO 31 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1ocp n LYS 32 N 0.17 2.22 -2.64 0.54 2.85 -1.26 -5.09 118.16 114.95 1ocp n LYS 32 Ca 0.08 -4.14 -0.36 0.00 -1.05 0.00 0.00 58.31 52.85 1ocp n LYS 32 Cb 0.34 -1.96 -0.05 0.00 -0.65 0.00 0.00 35.03 32.71 1ocp n LYS 32 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 1ocp s PRO 33 N -3.05 4.20 0.26 -1.58 0.04 -1.26 -5.04 135.00 128.56 1ocp s PRO 33 Ca 0.44 1.38 -0.09 0.00 0.04 0.00 0.00 61.00 62.77 1ocp s PRO 33 Cb 0.33 -2.45 -0.07 0.00 0.04 0.00 0.00 34.50 32.35 1ocp s PRO 33 CO -0.11 -0.09 0.57 -1.54 0.04 0.00 0.00 177.00 175.88 1ocp s SER 34 N -1.75 6.59 0.59 6.66 1.04 -1.26 -4.94 113.70 120.62 1ocp s SER 34 Ca 0.59 0.90 0.32 0.00 0.48 0.00 0.00 55.95 58.24 1ocp s SER 34 Cb -0.18 -2.22 1.87 0.00 0.10 0.00 0.00 66.02 65.59 1ocp s SER 34 CO 0.23 -0.12 2.24 -0.07 0.98 0.00 0.00 173.24 176.50 1ocp h LEU 35 N 2.27 0.00 -0.41 2.42 3.38 -1.99 0.21 115.31 121.19 1ocp h LEU 35 Ca -0.47 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.36 1ocp h LEU 35 Cb 1.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 1ocp h LEU 35 CO 0.68 0.02 -0.28 -0.61 0.09 0.00 0.00 178.44 178.34 1ocp h GLN 36 N 0.00 0.91 0.00 1.13 4.15 -2.00 -1.88 115.11 117.41 1ocp h GLN 36 Ca -0.00 -0.43 -0.03 0.00 0.77 0.00 0.00 58.65 58.95 1ocp h GLN 36 Cb 0.07 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 27.75 1ocp h GLN 36 CO 0.00 1.09 -0.16 0.37 -1.93 0.00 0.00 178.83 178.20 1ocp h GLN 37 N 0.73 0.00 -0.11 1.69 5.75 -0.99 -0.71 115.11 121.46 1ocp h GLN 37 Ca 0.08 0.00 -0.13 0.00 -0.15 0.00 0.00 58.65 58.45 1ocp h GLN 37 Cb 0.86 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.40 1ocp h GLN 37 CO 0.08 0.16 -0.50 0.82 -2.65 0.00 0.00 178.83 176.74 1ocp h ILE 38 N 0.00 1.34 -0.59 2.39 1.08 -0.55 0.11 117.51 121.29 1ocp h ILE 38 Ca -0.00 -1.74 -0.08 0.00 -0.39 0.00 0.00 64.86 62.65 1ocp h ILE 38 Cb 0.35 1.81 -0.02 0.00 -3.07 0.00 0.00 36.82 35.88 1ocp h ILE 38 CO 0.02 0.52 0.06 0.74 -0.69 0.00 0.00 178.15 178.81 1ocp h THR 39 N 0.24 1.25 0.00 -0.27 2.02 -0.62 -0.78 112.91 114.75 1ocp h THR 39 Ca 0.01 -1.02 -0.04 0.00 0.77 0.00 0.00 66.41 66.14 1ocp h THR 39 Cb 0.97 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 1ocp h THR 39 CO 0.08 0.37 -0.17 -0.74 0.37 0.00 0.00 175.52 175.43 1ocp h HIS 40 N 0.91 0.00 -0.19 3.16 -0.00 -0.84 -2.76 115.15 115.43 1ocp h HIS 40 Ca 0.18 0.00 -0.09 0.00 -0.00 0.00 0.00 60.37 60.46 1ocp h HIS 40 Cb 0.44 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.85 1ocp h HIS 40 CO 0.03 0.17 -0.22 0.82 -0.00 0.00 0.00 177.93 178.73 1ocp h ILE 41 N 0.00 1.34 0.35 6.26 5.03 0.62 0.43 117.51 131.53 1ocp h ILE 41 Ca -0.00 -1.40 -0.02 0.00 -0.12 0.00 0.00 64.86 63.32 1ocp h ILE 41 Cb 0.74 1.81 0.00 0.00 -3.03 0.00 0.00 36.82 36.35 1ocp h ILE 41 CO 0.02 0.43 -0.17 0.00 -0.68 0.00 0.00 178.15 177.75 1ocp h ALA 42 N 0.63 -0.47 0.00 1.87 0.00 -1.16 0.40 119.26 120.53 1ocp h ALA 42 Ca 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1ocp h ALA 42 Cb 0.77 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1ocp h ALA 42 CO 0.05 -0.75 0.00 -0.91 0.00 0.00 0.00 179.25 177.64 1ocp h ASN 43 N -0.49 0.00 0.82 0.00 2.35 -1.52 0.24 115.58 116.98 1ocp h ASN 43 Ca -0.05 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.54 1ocp h ASN 43 Cb 0.37 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.72 1ocp h ASN 43 CO 0.08 0.00 -0.80 1.56 -1.65 0.00 0.00 177.43 176.62 1ocp h GLN 44 N 0.00 0.00 0.00 0.81 1.08 0.12 -3.34 115.11 113.78 1ocp h GLN 44 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1ocp h GLN 44 Cb 0.15 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.58 1ocp h GLN 44 CO 0.00 0.80 -0.13 1.47 -0.95 0.00 0.00 178.83 180.02 1ocp n LEU 45 N -3.57 1.43 -2.23 1.46 -0.00 -0.65 -5.00 117.00 108.44 1ocp n LEU 45 Ca -0.01 -2.03 -0.11 0.00 -0.00 0.00 0.00 56.01 53.86 1ocp n LEU 45 Cb 0.77 -0.20 -0.01 0.00 -0.00 0.00 0.00 43.42 43.98 1ocp n LEU 45 CO 0.44 0.48 -0.14 0.61 -0.00 0.00 0.00 177.39 178.79 1ocp n GLY 46 N -0.75 -0.19 4.03 1.47 0.00 0.77 -4.74 105.19 105.78 1ocp n GLY 46 Ca 0.07 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.90 1ocp n GLY 46 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1ocp s LEU 47 N -5.15 3.16 0.16 0.99 2.34 -1.20 -4.97 118.68 114.01 1ocp s LEU 47 Ca 0.00 -0.78 -0.13 0.00 0.06 0.00 0.00 54.13 53.28 1ocp s LEU 47 Cb 0.00 -1.77 -0.07 0.00 -0.56 0.00 0.00 46.19 43.79 1ocp s LEU 47 CO 0.00 -1.29 0.54 -0.70 -1.06 0.00 0.00 176.35 173.84 1ocp s GLU 48 N -4.65 3.92 0.65 1.48 2.12 -1.26 -4.79 118.70 116.17 1ocp s GLU 48 Ca 0.61 0.42 0.38 0.00 0.36 0.00 0.00 54.97 56.74 1ocp s GLU 48 Cb -0.06 -2.87 2.05 0.00 0.26 0.00 0.00 34.13 33.51 1ocp s GLU 48 CO 0.38 0.45 2.15 -0.22 -0.54 0.00 0.00 175.26 177.49 1ocp h LYS 49 N 3.34 0.00 -0.22 4.30 3.64 -1.98 -1.17 116.57 124.48 1ocp h LYS 49 Ca -0.48 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 58.71 1ocp h LYS 49 Cb 1.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1ocp h LYS 49 CO 0.67 0.00 -0.62 0.22 -2.27 0.00 0.00 179.45 177.45 1ocp h ASP 50 N 0.00 0.86 1.56 4.20 1.82 -1.99 -1.35 116.42 121.51 1ocp h ASP 50 Ca 0.00 -0.49 -0.05 0.00 -0.39 0.00 0.00 57.03 56.10 1ocp h ASP 50 Cb 0.28 -0.25 -0.01 0.00 0.68 0.00 0.00 39.33 40.03 1ocp h ASP 50 CO 0.00 1.27 -0.46 1.62 -1.61 0.00 0.00 179.24 180.07 1ocp h VAL 51 N 0.56 0.32 0.00 2.25 3.04 -1.62 -2.86 116.25 117.94 1ocp h VAL 51 Ca -0.01 -1.48 -0.14 0.00 -1.01 0.00 0.00 66.70 64.06 1ocp h VAL 51 Cb 1.21 2.06 -0.02 0.00 -2.01 0.00 0.00 31.29 32.53 1ocp h VAL 51 CO 0.13 0.18 -0.67 1.62 -1.01 0.00 0.00 177.57 177.82 1ocp h VAL 52 N 0.00 1.20 0.08 1.51 3.04 -1.35 -1.28 116.25 119.44 1ocp h VAL 52 Ca -0.02 -2.58 -0.15 0.00 -1.01 0.00 0.00 66.70 62.95 1ocp h VAL 52 Cb 1.18 2.52 0.02 0.00 -2.01 0.00 0.00 31.29 32.99 1ocp h VAL 52 CO 0.03 0.66 -0.63 -0.09 -1.01 0.00 0.00 177.57 176.53 1ocp h ARG 53 N 0.00 0.28 0.00 4.17 1.12 -1.24 -2.04 114.38 116.66 1ocp h ARG 53 Ca -0.01 -0.41 -0.09 0.00 -1.11 0.00 0.00 59.98 58.37 1ocp h ARG 53 Cb 1.46 0.14 -0.01 0.00 -0.01 0.00 0.00 29.97 31.55 1ocp h ARG 53 CO 0.09 1.16 -0.41 0.28 -3.11 0.00 0.00 179.97 177.97 1ocp h VAL 54 N -0.40 0.97 0.07 0.20 2.07 -1.58 -0.59 116.25 116.99 1ocp h VAL 54 Ca -0.10 -1.61 -0.26 0.00 0.82 0.00 0.00 66.70 65.55 1ocp h VAL 54 Cb 1.45 1.96 0.01 0.00 -1.52 0.00 0.00 31.29 33.18 1ocp h VAL 54 CO 0.12 0.40 -1.11 -0.25 0.02 0.00 0.00 177.57 176.75 1ocp h TRP 55 N 0.00 0.61 0.00 1.57 7.01 -1.28 -3.22 115.95 120.64 1ocp h TRP 55 Ca -0.00 -0.39 0.00 0.00 2.11 0.00 0.00 58.89 60.61 1ocp h TRP 55 Cb 0.93 -0.05 0.00 0.00 -2.10 0.00 0.00 29.16 27.94 1ocp h TRP 55 CO 0.00 1.25 -0.44 0.34 -2.79 0.00 0.00 178.44 176.79 1ocp n PHE 56 N -3.66 0.27 -0.18 2.65 7.35 -0.77 -2.86 117.46 120.26 1ocp n PHE 56 Ca -0.08 0.08 -0.10 0.00 -0.76 0.00 0.00 57.45 56.58 1ocp n PHE 56 Cb 0.93 -0.48 0.02 0.00 0.35 0.00 0.00 39.48 40.30 1ocp n PHE 56 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1ocp h ASN 58 N 0.91 0.72 0.56 0.00 -0.26 -1.64 -3.02 115.58 112.85 1ocp h ASN 58 Ca 0.14 -0.69 0.00 0.00 -0.56 0.00 0.00 56.30 55.19 1ocp h ASN 58 Cb 0.68 -0.23 0.00 0.00 -1.06 0.00 0.00 38.32 37.71 1ocp h ASN 58 CO 0.05 1.51 0.00 -1.14 -1.06 0.00 0.00 177.43 176.79 1ocp n ARG 59 N -3.71 0.11 -0.03 0.81 3.00 -1.08 -2.88 116.66 112.88 1ocp n ARG 59 Ca -0.12 0.38 -0.20 0.00 -0.00 0.00 0.00 57.85 57.91 1ocp n ARG 59 Cb 0.99 -1.73 -0.13 0.00 0.00 0.00 0.00 32.46 31.59 1ocp n ARG 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ocp h ARG 60 N 0.00 0.15 -2.13 -0.14 3.08 -0.33 -3.37 114.38 111.65 1ocp h ARG 60 Ca 0.00 -0.26 -0.78 0.00 0.07 0.00 0.00 59.98 59.01 1ocp h ARG 60 Cb 0.28 0.10 -0.28 0.00 0.08 0.00 0.00 29.97 30.15 1ocp h ARG 60 CO 0.00 1.13 0.95 0.00 -1.07 0.00 0.00 179.97 180.98 1ocp n GLN 61 N -4.13 4.18 -0.23 0.04 10.64 -1.14 -4.63 117.38 122.10 1ocp n GLN 61 Ca -0.24 -4.18 0.06 0.00 -1.83 0.00 0.00 57.00 50.81 1ocp n GLN 61 Cb 0.79 -2.37 0.18 0.00 -0.86 0.00 0.00 30.24 27.98 1ocp n GLN 61 CO 0.00 0.00 0.00 0.36 -1.83 0.00 0.00 177.06 175.59 1ocp n LYS 62 N -0.28 2.05 -0.57 2.61 2.85 -1.17 -3.86 118.16 119.78 1ocp n LYS 62 Ca 0.49 -1.50 0.04 0.00 -1.05 0.00 0.00 58.31 56.30 1ocp n LYS 62 Cb 0.26 -1.37 0.07 0.00 -0.65 0.00 0.00 35.03 33.34 1ocp n LYS 62 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1ocp n GLY 63 N 1.09 2.34 1.06 2.58 0.00 -1.26 -4.78 105.19 106.21 1ocp n GLY 63 Ca 0.14 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1ocp n GLY 63 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ocp n LYS 64 N -0.44 0.00 -3.41 1.61 4.76 -1.25 -4.98 118.16 114.45 1ocp n LYS 64 Ca 0.08 0.00 -0.27 0.00 -2.87 0.00 0.00 58.31 55.24 1ocp n LYS 64 Cb 0.76 -0.48 -0.10 0.00 -1.84 0.00 0.00 35.03 33.37 1ocp n LYS 64 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1ocp s ARG 65 N -1.97 0.85 0.06 1.97 0.52 -1.26 -5.11 118.95 114.01 1ocp s ARG 65 Ca 0.00 -1.98 -0.08 0.00 -0.52 0.00 0.00 55.73 53.16 1ocp s ARG 65 Cb 0.00 -1.41 -0.01 0.00 0.52 0.00 0.00 34.95 34.06 1ocp s ARG 65 CO 0.00 -1.36 0.15 -1.12 0.02 0.00 0.00 175.30 173.00 1ocp s SER 66 N 0.23 0.14 0.00 0.23 0.01 -1.26 -5.01 113.70 108.05 1ocp s SER 66 Ca 0.30 -0.59 0.32 0.00 1.31 0.00 0.00 55.95 57.29 1ocp s SER 66 Cb -0.01 0.29 1.82 0.00 0.21 0.00 0.00 66.02 68.33 1ocp s SER 66 CO -0.16 -0.63 2.18 -1.54 0.41 0.00 0.00 173.24 173.50